7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione

C16H18N4O4S — CID 123370602

IUPAC7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione
SMILESCCc1cc2c(cc1-c1ccnn1CC)c(=O)[nH]c(=O)n2S(C)(=O)=O
InChIInChI=1S/C16H18N4O4S/c1-4-10-8-14-12(9-11(10)13-6-7-17-19(13)5-2)15(21)18-16(22)20(14)25(3,23)24/h6-9H,4-5H2,1-3H3,(H,18,21,22)
InChIKeyYCOACFNQCOXKAQ-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.94
Rot. Bonds4

About 7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione

7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione (PubChem CID 123370602) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione.

Molecular Properties

Compound Name7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione
PubChem CID123370602
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione
SMILESCCc1cc2c(cc1-c1ccnn1CC)c(=O)[nH]c(=O)n2S(C)(=O)=O
InChIInChI=1S/C16H18N4O4S/c1-4-10-8-14-12(9-11(10)13-6-7-17-19(13)5-2)15(21)18-16(22)20(14)25(3,23)24/h6-9H,4-5H2,1-3H3,(H,18,21,22)
InChIKeyYCOACFNQCOXKAQ-UHFFFAOYSA-N
XLogP0.94
TPSA106.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione?
The IUPAC name of 7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione (CID 123370602) is 7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione.
What is the SMILES notation for 7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione?
The canonical SMILES for 7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione is CCc1cc2c(cc1-c1ccnn1CC)c(=O)[nH]c(=O)n2S(C)(=O)=O.
What is the InChIKey of 7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione?
The InChIKey is YCOACFNQCOXKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-4-10-8-14-12(9-11(10)13-6-7-17-19(13)5-2)15(21)18-16(22)20(14)25(3,23)24/h6-9H,4-5H2,1-3H3,(H,18,21,22).
What are the key properties of 7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione?
7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione has a molecular weight of 362.41 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-(2-ethylpyrazol-3-yl)-1-methylsulfonylquinazoline-2,4-dione is sourced from PubChem (CID 123370602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).